SCHEMBL7618281

SCHEMBL7618281

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(OCc3ccc(Cl)nc3)cc2[N+](=O)[O-])c1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.37
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TERT O14746 5/20 0.36
GRM2 Q14416 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
POLB P06746 1/20 0.34
MCHR1 Q99705 2/20 0.33
PTGES O14684 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7613555 0.90 CHRM5 (0.37) CHRM5ALDH1A1NPC1RAB9ATERT
SCHEMBL7610613 0.89 MAOB (0.41) ALDH1A1MAPK1MCHR1PTGES
SCHEMBL7677446 0.87 HDAC1 (0.40) CHRM5ALDH1A1NPC1RAB9ATERT
SCHEMBL7611954 0.86 CHRM5 (0.39) CHRM5ALDH1A1NPC1RAB9ATERT
SCHEMBL7851650 0.84 CHRM5 (0.38) CHRM5ALDH1A1NPC1RAB9ATERT
SCHEMBL7615844 0.82 BCAT1 (0.40) CHRM5ALDH1A1NPC1RAB9ATERT
SCHEMBL7239116 0.81 PTGES (0.36) PTGES
SCHEMBL7684095 0.76 HDAC1 (0.40) CHRM5ALDH1A1NPC1RAB9ATERT
SCHEMBL9114664 0.75 MAOB (0.47) MCHR1
SCHEMBL7610528 0.74 MAOB (0.43) MCHR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432879-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-08-13 US disclosed